6-bromanyl-2-[(3,4-dichlorophenyl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-[(3,4-dichlorophenyl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[(3,4-dichlorophenyl)methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[(3,4-dichlorophenyl)methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(3,4-dichlorophenyl)methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-(3,4-dichlorobenzyl)-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C23H14BrCl2NO3 MolecularWeight: 503.17216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CC(=C(C=C4)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CC(=C(C=C4)Cl)Cl)C(=O)O

InChI

InChI=1S/C23H14BrCl2NO3/c24-15-7-8-16-17(11-15)20(14-4-2-1-3-5-14)21(23(29)30)27(22(16)28)12-13-6-9-18(25)19(26)10-13/h1-11H,12H2,(H,29,30)